2-Bromothiophenol (C6H5BrS)

2-Bromothiophenol presents a C6 framework, aromatic rings, halogen substitution (formula C6H5BrS, CAS 6320-02-1). ChemicalHelper Reaction can propose ranked disconnections for 2-Bromothiophenol from the SMILES Sc1ccccc1Br.

Target: 2-Bromothiophenol
CAS: 6320-02-1
Formula: C6H5BrS
Approx. MW: 189.07
SMILES: Sc1ccccc1Br
PubChem CID: 80598
Approx. carbons: C6

2-Bromothiophenol structure

Properties

IUPAC name: 2-bromobenzenethiol
Common names: 2-Bromothiophenol; 2-Bromobenzenethiol; Benzenethiol, 2-bromo-; 2-bromobenzene-1-thiol; CD6P4XJ7FQ; 2-BROMOPHENYLTHIOL; NSC-32016; DTXSID3064229; YUQUNWNSQDULTI-UHFFFAOYSA-; EINECS 228-665-4
Molecular weight: 189.07
Exact mass: 187.93
InChIKey: YUQUNWNSQDULTI-UHFFFAOYSA-N

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2-Bromothiophenol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Bromothiophenol?

2-Bromothiophenol has molecular formula C6H5BrS. Molecular weight about 189.07 g·mol⁻¹.

What is the CAS number of 2-Bromothiophenol?

The CAS Registry Number for 2-Bromothiophenol is 6320-02-1.

Run AI retrosynthesis for 2-Bromothiophenol Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H5BrS.

Related targets

Similar compounds

4-Bromothiophenol (3-bromophenyl)boronic Acid 1-Bromo-2-chloro-3-fluorobenzene 1-Bromo-2-chlorobenzene 1-Bromo-2-Iodobenzene 1-Bromo-3-chlorobenzene

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.